[1,3]oxazolo[4,5-h]isoquinoline

C10H6N2O — CID 66932874

IUPAC[1,3]oxazolo[4,5-h]isoquinoline
SMILESc1cc2ccc3ncoc3c2cn1
InChIInChI=1S/C10H6N2O/c1-2-9-10(13-6-12-9)8-5-11-4-3-7(1)8/h1-6H
InChIKeyBNZWLTVMPQNISM-UHFFFAOYSA-N
MW170.17 g/mol
LogP2.38
Rot. Bonds

About [1,3]oxazolo[4,5-h]isoquinoline

[1,3]oxazolo[4,5-h]isoquinoline (PubChem CID 66932874) has the molecular formula C10H6N2O and a molecular weight of 170.17 g/mol. Its IUPAC name is [1,3]oxazolo[4,5-h]isoquinoline.

Molecular Properties

Compound Name[1,3]oxazolo[4,5-h]isoquinoline
PubChem CID66932874
Molecular FormulaC10H6N2O
Molecular Weight170.17 g/mol
Exact Mass170.05
IUPAC Name[1,3]oxazolo[4,5-h]isoquinoline
SMILESc1cc2ccc3ncoc3c2cn1
InChIInChI=1S/C10H6N2O/c1-2-9-10(13-6-12-9)8-5-11-4-3-7(1)8/h1-6H
InChIKeyBNZWLTVMPQNISM-UHFFFAOYSA-N
XLogP2.38
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Pyridyl)benzoxazole
CID 16803
2-(4-Methylquinolin-6-yl)-1,3-benzoxazole
CID 2421435
(2-Benzooxazol-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 10641613
N-[4-(5,6-Dimethyl-benzooxazol-2-yl)-phenyl]-nicotinamide
CID 645992
Methyl 2-[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]acetate
CID 4316568
6-Methyl-2-pyridin-3-yl-1,3-benzoxazole
CID 829823
7-Methyl-5-phenyl-5,6,8,9-tetrahydro-[1,3]oxazolo[5,4-h][3]benzazepine
CID 118711273
2-Isopentyl-6-(pyridin-4-yl)benzo[d]oxazole
CID 118864160
2-(4-Methylpentan-2-yl)-6-(pyridin-4-yl)benzo[d]oxazole
CID 118864372
5,7-Di-tert-butyl-2-pyridin-3-yl-benzooxazole
CID 1222503
3-Benzooxazol-2-ylquinoline
CID 12513785
2-(1,3-benzoxazol-6-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine
CID 19098464

Frequently Asked Questions

What is the IUPAC name of [1,3]oxazolo[4,5-h]isoquinoline?
The IUPAC name of [1,3]oxazolo[4,5-h]isoquinoline (CID 66932874) is [1,3]oxazolo[4,5-h]isoquinoline.
What is the SMILES notation for [1,3]oxazolo[4,5-h]isoquinoline?
The canonical SMILES for [1,3]oxazolo[4,5-h]isoquinoline is c1cc2ccc3ncoc3c2cn1.
What is the InChIKey of [1,3]oxazolo[4,5-h]isoquinoline?
The InChIKey is BNZWLTVMPQNISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O/c1-2-9-10(13-6-12-9)8-5-11-4-3-7(1)8/h1-6H.
What are the key properties of [1,3]oxazolo[4,5-h]isoquinoline?
[1,3]oxazolo[4,5-h]isoquinoline has a molecular weight of 170.17 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]oxazolo[4,5-h]isoquinoline is sourced from PubChem (CID 66932874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).